4H4C
IspH in complex with (E)-4-fluoro-3-methylbut-2-enyl diphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.360, 80.370, 111.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.1844 |
| Rwork | 0.182 |
| R-free | 0.23224 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ke8 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.460 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC (5.6.0117) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 57685 | |
| <I/σ(I)> | 10.8 | 2.3 |
| Completeness [%] | 97.6 | 96.8 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M Bis-Tris, 0.2 M ammonium sulfate, 25% PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
